bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C178H184N16O4Pt4-12 — CID 160562263

IUPACbis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1ccc(C(C)(C)C)cc1.CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1ccc(C(C)(C)C)cc1.Cc1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C=C2C(C)(C)C)c1C.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C48H53N4O.2C44H45N4O.C42H41N4O.4Pt/c1-45(2,3)32-22-23-49-44(27-32)52-41-19-14-13-18-39(41)40-21-20-38(29-42(40)52)53-37-17-15-16-35(28-37)50-30-43(48(10,11)12)51(31-50)36-25-33(46(4,5)6)24-34(26-36)47(7,8)9;2*1-42(2,3)30-17-19-32(20-18-30)47-29-46(28-40(47)44(7,8)9)33-13-12-14-34(26-33)49-35-21-22-37-36-15-10-11-16-38(36)48(39(37)27-35)41-25-31(23-24-45-41)43(4,5)6;1-28-13-11-18-36(29(28)2)45-27-44(26-39(45)42(6,7)8)31-14-12-15-32(24-31)47-33-19-20-35-34-16-9-10-17-37(34)46(38(35)25-33)40-23-30(21-22-43-40)41(3,4)5;;;;/h13-27,30-31H,1-12H3;2*10-25,28-29H,1-9H3;9-23,26-27H,1-8H3;;;;/q4*-3;;;;
InChIKeySNJDPTFNGCKNFO-UHFFFAOYSA-N
MW3391.85 g/mol
LogP46.61
Rot. Bonds20

About bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 160562263) has the molecular formula C178H184N16O4Pt4-12 and a molecular weight of 3391.85 g/mol. Its IUPAC name is bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Namebis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
PubChem CID160562263
Molecular FormulaC178H184N16O4Pt4-12
Molecular Weight3391.85 g/mol
Exact Mass3389.33
IUPAC Namebis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
SMILESCC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1ccc(C(C)(C)C)cc1.CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1ccc(C(C)(C)C)cc1.Cc1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C=C2C(C)(C)C)c1C.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C48H53N4O.2C44H45N4O.C42H41N4O.4Pt/c1-45(2,3)32-22-23-49-44(27-32)52-41-19-14-13-18-39(41)40-21-20-38(29-42(40)52)53-37-17-15-16-35(28-37)50-30-43(48(10,11)12)51(31-50)36-25-33(46(4,5)6)24-34(26-36)47(7,8)9;2*1-42(2,3)30-17-19-32(20-18-30)47-29-46(28-40(47)44(7,8)9)33-13-12-14-34(26-33)49-35-21-22-37-36-15-10-11-16-38(36)48(39(37)27-35)41-25-31(23-24-45-41)43(4,5)6;1-28-13-11-18-36(29(28)2)45-27-44(26-39(45)42(6,7)8)31-14-12-15-32(24-31)47-33-19-20-35-34-16-9-10-17-37(34)46(38(35)25-33)40-23-30(21-22-43-40)41(3,4)5;;;;/h13-27,30-31H,1-12H3;2*10-25,28-29H,1-9H3;9-23,26-27H,1-8H3;;;;/q4*-3;;;;
InChIKeySNJDPTFNGCKNFO-UHFFFAOYSA-N
XLogP46.61
TPSA134.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms202
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003391.85
LogP ≤ 546.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The IUPAC name of bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 160562263) is bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.
What is the SMILES notation for bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The canonical SMILES for bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1ccc(C(C)(C)C)cc1.CC(C)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)[CH-]N1c1ccc(C(C)(C)C)cc1.Cc1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C=C2C(C)(C)C)c1C.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
The InChIKey is SNJDPTFNGCKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53N4O.2C44H45N4O.C42H41N4O.4Pt/c1-45(2,3)32-22-23-49-44(27-32)52-41-19-14-13-18-39(41)40-21-20-38(29-42(40)52)53-37-17-15-16-35(28-37)50-30-43(48(10,11)12)51(31-50)36-25-33(46(4,5)6)24-34(26-36)47(7,8)9;2*1-42(2,3)30-17-19-32(20-18-30)47-29-46(28-40(47)44(7,8)9)33-13-12-14-34(26-33)49-35-21-22-37-36-15-10-11-16-38(36)48(39(37)27-35)41-25-31(23-24-45-41)43(4,5)6;1-28-13-11-18-36(29(28)2)45-27-44(26-39(45)42(6,7)8)31-14-12-15-32(24-31)47-33-19-20-35-34-16-9-10-17-37(34)46(38(35)25-33)40-23-30(21-22-43-40)41(3,4)5;;;;/h13-27,30-31H,1-12H3;2*10-25,28-29H,1-9H3;9-23,26-27H,1-8H3;;;;/q4*-3;;;;.
What are the key properties of bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?
bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 3391.85 g/mol, XLogP of 46.61, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[3-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-tert-butyl-3-(2,3-dimethylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 160562263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).